tert-butyl 5-(1-benzothiophen-2-ylcarbonylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-(1-benzothiophen-2-ylcarbonylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-(benzothiophene-2-carbonylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[1-benzothiophen-2-yl(oxo)methyl]amino]-2-(dimethylamino)-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-benzothiophene-2-carbonylamino)-2-(dimethylamino)-3-phenylimidazole-4-carboxylate Traditional Name: 5-(benzothiophene-2-carbonylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H26N4O3S/c1-25(2,3)32-23(31)20-21(26-22(30)19-15-16-11-9-10-14-18(16)33-19)27-24(28(4)5)29(20)17-12-7-6-8-13-17/h6-15H,1-5H3,(H,26,30)